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Compound Detail

CHEMBL3704001

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Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCOCC6)cc5c4)n3c2)cn1

Basic Information

ChEMBL ID CHEMBL3704001
Phase Preclinical
Structure Type MOL
InChI Key URAMORWCRRAYRG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.67
ALogP
9
HBA
0
HBD
73.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7OS
MW 443.54
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -2.41

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine